Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL1685899

CCC[C@H](N)C(=O)O.O=C(O)C(O)C(O)C(=O)O.O=[N+]([O-])O.OCCCCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
HTR2A known ✓ P28223 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
HRH1 known ✓ P35367 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
SLC1A2 P43004 4/20 0.44
SLC1A1 P43005 4/20 0.44
GRIK1 P39086 4/20 0.44
GRIK2 Q13002 4/20 0.44
SLC1A3 P43003 3/20 0.44
NOS1 P29475 5/20 0.43
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
DDAH1 O94760 3/20 0.37
AKR1A1 P14550 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Norvaline SCHEMBL167818 0.94 SLC1A2 (0.49) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL166375 0.87 SLC1A2 (0.47) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Cadaverine Tartrate SCHEMBL1685898 0.85 SLC1A2 (0.38) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2512779 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2517586 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2513626 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2517585 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2513624 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Norvaline SCHEMBL2512780 0.85 SLC1A2 (0.52) SLC1A2SLC1A1GRIK1GRIK2SLC1A3
Cadaverine Tartrate SCHEMBL28042981 0.82 SLC1A2 (0.55) SLC1A2SLC1A1GRIK1GRIK2SLC1A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041870-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS COADMINISTERED WITH NITRIC OXIDE AMINO ACID ESTER COMPOUNDS AS PROPHYLAXIS IN HYPERTENSIVE PATIENTS NITROGENIX INC. (VG) 2011-04-14 WO claimed
WO-2011041870-A1 NON-STEROIDAL ANTI-INFLAMMATORY DRUGS COADMINISTERED WITH NITRIC OXIDE AMINO ACID ESTER COMPOUNDS AS PROPHYLAXIS IN HYPERTENSIVE PATIENTS NITROGENIX INC. (VG) 2011-04-14 WO disclosed