Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9870484

Nc1nc(-c2ccccc2)c(CCN2CC=C(c3ccccc3)CC2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.46

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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 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
HTR1A P08908 3/20 0.43
PARP1 P09874 6/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7270081 0.91 SIGMAR1 (0.51) CYP1A2SIGMAR1HTR1APARP1DRD2
Hydrochloric Acid SCHEMBL9871842 0.86 SIGMAR1 (0.55) SIGMAR1HTR1APARP1DRD2KMT2A
Cadaverine Tartrate SCHEMBL9870835 0.86 PARP1 (0.45) SIGMAR1PARP1
Hydrochloric Acid SCHEMBL9870487 0.83 SIGMAR1 (0.57) CYP1A2SIGMAR1HTR1APARP1DRD2
SCHEMBL9872440 0.82 PARP1 (0.52) SIGMAR1HTR1APARP1DRD2DRD4
Cadaverine Tartrate SCHEMBL7270386 0.80 CYP1A2 (0.46) CYP1A2SIGMAR1HTR1ADRD2DRD4
Cadaverine Tartrate SCHEMBL9872353 0.80 MAPT (0.47) CYP1A2HTR1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9871774 0.80 SIGMAR1 (0.49) SIGMAR1PARP1DRD2DRD4DRD3
SCHEMBL10333960 0.79 DRD4 (0.49) SIGMAR1HTR1APARP1DRD2DRD4
Cadaverine Tartrate SCHEMBL9870596 0.78 HTR1A (0.45) CYP1A2HTR1APARP1DRD2DRD4

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