Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL5807971

CC(C)(N)CC(Oc1cccc2ccccc12)c1cccs1.CC(C)(N)CC(Oc1cccc2ccccc12)c1cccs1.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.56

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
SLC6A2 known ✓ P23975 11/20 0.56
SLC6A3 known ✓ Q01959 9/20 0.56
ADRB1 known ✓ P08588 1/20 0.53
ADRA2B known ✓ P18089 1/20 0.53
ADRA2C known ✓ P18825 1/20 0.53
HTR2A known ✓ P28223 1/20 0.53
ADRA1A known ✓ P35348 1/20 0.53
HRH1 known ✓ P35367 1/20 0.53
OPRM1 known ✓ P35372 1/20 0.53
OPRK1 known ✓ P41145 1/20 0.53
SLC6A4 P31645 11/20 0.56
HTR1A P08908 2/20 0.53
MLNR O43193 1/20 0.53
CACNA1F O60840 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
DRD2 P14416 1/20 0.53

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
Oxalic Acid SCHEMBL2486875 0.92 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Oxalic Acid SCHEMBL1535366 0.92 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL2450624 0.89 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Maleic Acid SCHEMBL4620953 0.89 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Phosphoric Acid SCHEMBL4452410 0.87 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR1AMLNR
SCHEMBL4438987 0.85 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Cadaverine Tartrate SCHEMBL2450635 0.82 CACNA2D1 (0.64) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Cadaverine Tartrate SCHEMBL3137768 0.82 CACNA2D1 (0.64) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Duloxetine SCHEMBL3134789 0.82 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3HTR1AMLNR
Cadaverine Tartrate SCHEMBL3137755 0.82 CACNA2D1 (0.64) SLC6A2SLC6A4SLC6A3HTR1AMLNR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006126213-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DULOXETINE MATRIX LABORATORIES LTD (IN) 2006-11-30 WO disclosed