Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9871086

Nc1nc(-c2ccccc2)c(CCCN2CCN(c3ccccc3Cl)CC2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.48

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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 12)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.43
ADRA1D known ✓ P25100 1/20 0.42
ADRA1A known ✓ P35348 1/20 0.42
ADRA1B known ✓ P35368 1/20 0.42
SLC6A2 known ✓ P23975 1/20 0.42
DRD2 P14416 7/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 5/20 0.46
CYP1A2 P05177 1/20 0.44
HTR1A P08908 4/20 0.43
CACNA1G O43497 2/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL7268921 0.91 DRD2 (0.51) DRD2DRD3DRD4HTR1ACACNA1G
Cadaverine Tartrate SCHEMBL9871896 0.86 HTR1A (0.47) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9870639 0.84 PARP1 (0.46) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9872027 0.83 SIGMAR1 (0.51) DRD2DRD3CYP1A2HTR1ACACNA1G
Cadaverine Tartrate SCHEMBL9871618 0.82 DRD2 (0.44) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9871625 0.82 DRD2 (0.44) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9870596 0.80 HTR1A (0.45) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9872353 0.80 MAPT (0.47) DRD2DRD3DRD4CYP1A2HTR1A
Hydrochloric Acid SCHEMBL9870939 0.78 HTR2A (0.53) DRD2DRD3DRD4CYP1A2HTR1A
Cadaverine Tartrate SCHEMBL9871114 0.78 HTR1A (0.49) DRD2HTR1ACACNA1GHTR2A

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
US-5071864-A Administering for high blood pressure and central nervous syst em disorders BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed